5-(difluoromethyl)pyridine-2-carboxylic acid

C7H5F2NO2 — CID 23145481

IUPAC5-(difluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C(F)F)cn1
InChIInChI=1S/C7H5F2NO2/c8-6(9)4-1-2-5(7(11)12)10-3-4/h1-3,6H,(H,11,12)
InChIKeyMKLFNFRBDNMKIU-UHFFFAOYSA-N
MW173.12 g/mol
LogP1.72
Rot. Bonds2

About 5-(difluoromethyl)pyridine-2-carboxylic acid

5-(difluoromethyl)pyridine-2-carboxylic acid (PubChem CID 23145481) has the molecular formula C7H5F2NO2 and a molecular weight of 173.12 g/mol. Its IUPAC name is 5-(difluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(difluoromethyl)pyridine-2-carboxylic acid
PubChem CID23145481
Molecular FormulaC7H5F2NO2
Molecular Weight173.12 g/mol
Exact Mass173.03
IUPAC Name5-(difluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(C(F)F)cn1
InChIInChI=1S/C7H5F2NO2/c8-6(9)4-1-2-5(7(11)12)10-3-4/h1-3,6H,(H,11,12)
InChIKeyMKLFNFRBDNMKIU-UHFFFAOYSA-N
XLogP1.72
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.12
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(difluoromethyl)pyridine-2-carboxylic acid (CID 23145481) is 5-(difluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(difluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(difluoromethyl)pyridine-2-carboxylic acid is O=C(O)c1ccc(C(F)F)cn1.
What is the InChIKey of 5-(difluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is MKLFNFRBDNMKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO2/c8-6(9)4-1-2-5(7(11)12)10-3-4/h1-3,6H,(H,11,12).
What are the key properties of 5-(difluoromethyl)pyridine-2-carboxylic acid?
5-(difluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 173.12 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 23145481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).